methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate

C18H17N3O3 — CID 30239096

IUPACmethyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(O)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C18H17N3O3/c1-24-17(22)13-21-12-16(19-20-21)18(23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,23H,13H2,1H3
InChIKeyAFUZTLIJQUBTMD-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.74
Rot. Bonds5

About methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate

methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate (PubChem CID 30239096) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate
PubChem CID30239096
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(O)(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C18H17N3O3/c1-24-17(22)13-21-12-16(19-20-21)18(23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,23H,13H2,1H3
InChIKeyAFUZTLIJQUBTMD-UHFFFAOYSA-N
XLogP1.74
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate (CID 30239096) is methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate is COC(=O)Cn1cc(C(O)(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate?
The InChIKey is AFUZTLIJQUBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-17(22)13-21-12-16(19-20-21)18(23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,23H,13H2,1H3.
What are the key properties of methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate?
methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate has a molecular weight of 323.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]acetate is sourced from PubChem (CID 30239096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).